5-tert-butyl-2-cyclopropyl-2-methyl-1-(pyridin-2-ylmethyl)piperazine

C18H29N3 — CID 64842250

IUPAC5-tert-butyl-2-cyclopropyl-2-methyl-1-(pyridin-2-ylmethyl)piperazine
SMILESCC(C)(C)C1CN(Cc2ccccn2)C(C)(C2CC2)CN1
InChIInChI=1S/C18H29N3/c1-17(2,3)16-12-21(11-15-7-5-6-10-19-15)18(4,13-20-16)14-8-9-14/h5-7,10,14,16,20H,8-9,11-13H2,1-4H3
InChIKeyXVEZTTQPHRONRA-UHFFFAOYSA-N
MW287.45 g/mol
LogP3.07
Rot. Bonds3

About 5-tert-butyl-2-cyclopropyl-2-methyl-1-(pyridin-2-ylmethyl)piperazine

5-tert-butyl-2-cyclopropyl-2-methyl-1-(pyridin-2-ylmethyl)piperazine (PubChem CID 64842250) has the molecular formula C18H29N3 and a molecular weight of 287.45 g/mol. Its IUPAC name is 5-tert-butyl-2-cyclopropyl-2-methyl-1-(pyridin-2-ylmethyl)piperazine.

Molecular Properties

Compound Name5-tert-butyl-2-cyclopropyl-2-methyl-1-(pyridin-2-ylmethyl)piperazine
PubChem CID64842250
Molecular FormulaC18H29N3
Molecular Weight287.45 g/mol
Exact Mass287.24
IUPAC Name5-tert-butyl-2-cyclopropyl-2-methyl-1-(pyridin-2-ylmethyl)piperazine
SMILESCC(C)(C)C1CN(Cc2ccccn2)C(C)(C2CC2)CN1
InChIInChI=1S/C18H29N3/c1-17(2,3)16-12-21(11-15-7-5-6-10-19-15)18(4,13-20-16)14-8-9-14/h5-7,10,14,16,20H,8-9,11-13H2,1-4H3
InChIKeyXVEZTTQPHRONRA-UHFFFAOYSA-N
XLogP3.07
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.45
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-tert-butyl-2-ethyl-1-(pyridin-2-ylmethyl)piperazine
CID 64842793
5-tert-butyl-2-cyclopropyl-2-methyl-1-(thiophen-3-ylmethyl)piperazine
CID 64842067
5-tert-butyl-2-cyclopropyl-2-methyl-1-(oxan-4-ylmethyl)piperazine
CID 64842062
2-ethyl-5-methyl-1-(pyridin-2-ylmethyl)piperazine
CID 64844286
(4aS,8aR)-4a-methyl-5-(pyridin-2-ylmethyl)-1,2,3,4,6,7,8,8a-octahydro-1,5-naphthyridine
CID 110138265
5-tert-butyl-2-cyclopropyl-2-methyl-1-(oxolan-3-ylmethyl)piperazine
CID 64842063
2,5,5-triethyl-1-(pyridin-2-ylmethyl)piperazine
CID 64861194
2,2-diethyl-5-propyl-1-(pyridin-2-ylmethyl)piperazine
CID 64839207
5-cyclopropyl-5-methyl-2-(2-methylpropyl)-1-(pyridin-2-ylmethyl)piperazine
CID 64877133
2,2-diethyl-5-propan-2-yl-1-(pyridin-2-ylmethyl)piperazine
CID 64838682
2-[5,5-dimethyl-1-(pyridin-2-ylmethyl)pyrrolidin-3-yl]ethanol
CID 117018520
[2,2-dimethyl-1-(pyridin-2-ylmethyl)piperidin-4-yl]methanamine
CID 117020604

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-2-cyclopropyl-2-methyl-1-(pyridin-2-ylmethyl)piperazine?
The IUPAC name of 5-tert-butyl-2-cyclopropyl-2-methyl-1-(pyridin-2-ylmethyl)piperazine (CID 64842250) is 5-tert-butyl-2-cyclopropyl-2-methyl-1-(pyridin-2-ylmethyl)piperazine.
What is the SMILES notation for 5-tert-butyl-2-cyclopropyl-2-methyl-1-(pyridin-2-ylmethyl)piperazine?
The canonical SMILES for 5-tert-butyl-2-cyclopropyl-2-methyl-1-(pyridin-2-ylmethyl)piperazine is CC(C)(C)C1CN(Cc2ccccn2)C(C)(C2CC2)CN1.
What is the InChIKey of 5-tert-butyl-2-cyclopropyl-2-methyl-1-(pyridin-2-ylmethyl)piperazine?
The InChIKey is XVEZTTQPHRONRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3/c1-17(2,3)16-12-21(11-15-7-5-6-10-19-15)18(4,13-20-16)14-8-9-14/h5-7,10,14,16,20H,8-9,11-13H2,1-4H3.
What are the key properties of 5-tert-butyl-2-cyclopropyl-2-methyl-1-(pyridin-2-ylmethyl)piperazine?
5-tert-butyl-2-cyclopropyl-2-methyl-1-(pyridin-2-ylmethyl)piperazine has a molecular weight of 287.45 g/mol, XLogP of 3.07, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-2-cyclopropyl-2-methyl-1-(pyridin-2-ylmethyl)piperazine is sourced from PubChem (CID 64842250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).